1.02010-04-08 22:05:47 UTC2015-07-20 21:55:02 UTCFDB003407Methyl cyclohexanecarboxylateFlavouring ingredientCyclohexanecarboxylic acid, methyl esterFEMA 3568Hexahydrobenzoic acid methyl esterMethyl cyclohexanecarboxylateMethyl cyclohexanoateMethyl cyclohexylcarboxylateMethyl cyclohexylformateMethyl ester OF cyclohexanecarboxylic acidMethyl hexahydrobenzoateC8H14O2142.1956142.099379692methyl cyclohexanecarboxylatemethyl cyclohexanecarboxylate4630-82-4COC(=O)C1CCCCC1InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3ZQWPRMPSCMSAJU-UHFFFAOYSA-N belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group.Methyl estersOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesCarboxylic acid derivativesAliphatic homomonocyclic compoundsCarbonyl compoundsHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAliphatic homomonocyclic compoundCarbonyl groupHydrocarbon derivativeMethyl esterMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundlogp1.85logs-1.96solubility1.55e+00 g/llogp2.04pka_strongest_basic-7.1iupacmethyl cyclohexanecarboxylateaverage_mass142.1956mono_mass142.099379692smilesCOC(=O)C1CCCCC1formulaC8H14O2inchiInChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3inchikeyZQWPRMPSCMSAJU-UHFFFAOYSA-Npolar_surface_area26.3refractivity38.62polarizability16.19rotatable_bond_count2acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr4401Specdb::MsIr4402Specdb::CMs20847Specdb::CMs27212Specdb::CMs100744Specdb::CMs153219Specdb::NmrOneD163549Specdb::NmrOneD163550Specdb::NmrOneD163551Specdb::NmrOneD163552Specdb::NmrOneD163553Specdb::NmrOneD163554Specdb::NmrOneD163555Specdb::NmrOneD163556Specdb::NmrOneD163557Specdb::NmrOneD163558Specdb::NmrOneD163559Specdb::NmrOneD163560Specdb::NmrOneD163561Specdb::NmrOneD163562Specdb::NmrOneD163563Specdb::NmrOneD163564Specdb::NmrOneD163565Specdb::NmrOneD163566Specdb::NmrOneD163567Specdb::NmrOneD163568Specdb::MsMs61755Specdb::MsMs61756Specdb::MsMs61757Specdb::MsMs118347Specdb::MsMs118348Specdb::MsMs118349Specdb::MsMs2805579Specdb::MsMs2805580Specdb::MsMs2805581Specdb::MsMs2877047Specdb::MsMs2877048Specdb::MsMs2877049HMDB31343#<Reference:0x00005556755a97d8>berryesteresteryfruitfruitymilkpineapple